1-(2,3-dimethyl-2,3-dihydro-1H-indol-1-ium-1-yl)butyl ethanoate iodide

Systemtic Name: 1-(2,3-dimethyl-2,3-dihydro-1H-indol-1-ium-1-yl)butyl ethanoate iodide Openeye Name: 1-(2,3-dimethylindolin-1-ium-1-yl)butyl acetate iodide CAS Name: acetic acid 1-(2,3-dimethyl-2,3-dihydro-1H-indol-1-ium-1-yl)butyl ester iodide IUPAC Name: 1-(2,3-dimethyl-2,3-dihydro-1H-indol-1-ium-1-yl)butyl acetate iodide Traditional Name: acetic acid 1-(2,3-dimethylindolin-1-ium-1-yl)butyl ester iodide Formula: C16H24INO2 MolecularWeight: 389.27173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC([NH+]1C(C(C2=CC=CC=C21)C)C)OC(=O)C.[I-]

Isomeric SMILES

CCCC([NH+]1C(C(C2=CC=CC=C21)C)C)OC(=O)C.[I-]

InChI

InChI=1S/C16H23NO2.HI/c1-5-8-16(19-13(4)18)17-12(3)11(2)14-9-6-7-10-15(14)17;/h6-7,9-12,16H,5,8H2,1-4H3;1H